Aluminium in PDB 4byg: Atpase Crystal Structure

The structure of Atpase Crystal Structure, PDB code: 4byg was solved by D.Mattle, N.D.Drachmann, X.Y.Liu, B.P.Pedersen, J.P.Morth, J.Wang, P.Gourdon, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.984 / 2.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.120, 72.910, 329.650, 90.00, 90.00, 90.00
R / Rfree (%)	23.21 / 28.73

The structure of Atpase Crystal Structure also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom

The binding sites of Aluminium atom in the Atpase Crystal Structure (pdb code 4byg). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total only one binding site of Aluminium was determined in the Atpase Crystal Structure, PDB code: 4byg:

Aluminium binding site 1 out of 1 in the Atpase Crystal Structure


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Atpase Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Al995 b:67.3 occ:1.00 AL A:ALF995 0.0 67.3 1.0 OD1 A:ASP426 1.7 91.0 1.0 F4 A:ALF995 1.8 35.1 1.0 F3 A:ALF995 1.8 75.3 1.0 F2 A:ALF995 1.8 92.4 1.0 F1 A:ALF995 1.8 44.5 1.0 O A:HOH2014 2.4 63.3 1.0 CG A:ASP426 2.5 75.0 1.0 OD2 A:ASP426 2.6 78.9 1.0 MG A:MG996 3.1 68.5 1.0 O A:HOH2021 3.5 0.4 1.0 N A:THR428 3.7 57.1 1.0 N A:LYS427 3.8 47.7 1.0 O A:THR428 3.9 52.6 1.0 CB A:ASP426 3.9 58.5 1.0 O A:THR277 4.3 95.8 1.0 CB A:THR428 4.3 55.7 1.0 OG1 A:THR577 4.3 54.0 1.0 CA A:THR428 4.4 51.9 1.0 OG1 A:THR428 4.4 57.1 1.0 O A:HOH2015 4.4 91.1 1.0 CA A:ASP426 4.4 61.1 1.0 N A:GLY578 4.5 57.6 1.0 ND2 A:ASN627 4.6 54.2 1.0 C A:LYS427 4.6 56.0 1.0 C A:ASP426 4.6 59.8 1.0 CA A:LYS427 4.6 53.0 1.0 C A:THR428 4.6 49.8 1.0 O A:GLY278 4.7 67.5 1.0 CA A:THR577 4.7 61.7 1.0 OD2 A:ASP628 4.7 51.1 1.0 OD1 A:ASP628 4.8 78.2 1.0 CA A:GLY278 4.8 78.1 1.0 CB A:LYS427 4.9 52.2 1.0 OD1 A:ASP624 4.9 73.5 1.0 CB A:THR577 4.9 59.6 1.0 OE2 A:GLU279 4.9 92.0 1.0

D.Mattle, N.D.Drachmann, X.Y.Liu, B.P.Pedersen, J.P.Morth, J.Wang, P.Gourdon, P.Nissen. Dephosphorylation of Pib-Type Cu(I)-Atpases As Studied By Metallofluoride Complexes To Be Published.